U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ge4Se9 by Materials Project
Abstract
Ge4Se9 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of two Ge4Se9 sheets oriented in the (0, 1, 0) direction. there are four inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.38–2.40 Å. In the second Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.41 Å) Ge–Se bond lengths. In the third Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.40–2.42 Å. In the fourth Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.40–2.42 Å. There are nine inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in an L-shaped geometry to two Ge3+ atoms. In the second Se+1.33- site, Se+1.33- is bonded in a water-like geometry to two Ge3+ atoms. In the third Se+1.33- site, Se+1.33- is bonded in a water-like geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-680333
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ge4Se9; Ge-Se
- OSTI Identifier:
- 1283600
- DOI:
- https://doi.org/10.17188/1283600
Citation Formats
The Materials Project. Materials Data on Ge4Se9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283600.
The Materials Project. Materials Data on Ge4Se9 by Materials Project. United States. doi:https://doi.org/10.17188/1283600
The Materials Project. 2020.
"Materials Data on Ge4Se9 by Materials Project". United States. doi:https://doi.org/10.17188/1283600. https://www.osti.gov/servlets/purl/1283600. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1283600,
title = {Materials Data on Ge4Se9 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge4Se9 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of two Ge4Se9 sheets oriented in the (0, 1, 0) direction. there are four inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.38–2.40 Å. In the second Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.41 Å) Ge–Se bond lengths. In the third Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.40–2.42 Å. In the fourth Ge3+ site, Ge3+ is bonded to four Se+1.33- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.40–2.42 Å. There are nine inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in an L-shaped geometry to two Ge3+ atoms. In the second Se+1.33- site, Se+1.33- is bonded in a water-like geometry to two Ge3+ atoms. In the third Se+1.33- site, Se+1.33- is bonded in a water-like geometry to two Ge3+ atoms. In the fourth Se+1.33- site, Se+1.33- is bonded in an L-shaped geometry to two Ge3+ atoms. In the fifth Se+1.33- site, Se+1.33- is bonded in a water-like geometry to two Ge3+ atoms. In the sixth Se+1.33- site, Se+1.33- is bonded in a distorted single-bond geometry to one Ge3+ atom. In the seventh Se+1.33- site, Se+1.33- is bonded in a water-like geometry to two Ge3+ atoms. In the eighth Se+1.33- site, Se+1.33- is bonded in a water-like geometry to two Ge3+ atoms. In the ninth Se+1.33- site, Se+1.33- is bonded in a distorted single-bond geometry to one Ge3+ atom.},
doi = {10.17188/1283600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}